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【结 构 式】 
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【分子编号】58521 【品名】(2S)-5-[(benzoyloxy)(methyl)amino]-2-[((2S)-2,6-bis{[2,3-bis(acetyloxy)benzoyl]amino}hexanoyl)amino]-5-oxopentanoic acid 【CA登记号】 |
【 分 子 式 】C41H44N4O16 【 分 子 量 】848.81772 【元素组成】C 58.02% H 5.22% N 6.6% O 30.16% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(VIII)Catalytic hydrogenolysis of benzyl ester (VII) affords carboxylic acid (VIII) (1). Then, coupling of acid (VIII) with ampicillin (IX) using isobutyl chloroformate provides the target adduct, which is finally converted to the title sodium salt upon treatment with sodium 2-ethylhexanoate in EtOAc.
| 【1】 Wittmann, S.; et al.; New synthetic siderophores and their beta-lactam conjugates based on diamino acids and dipeptides. Bioorg Med Chem 2002, 10, 6, 1659. |
| 【2】 Heinisch, L.; Mollmann, U.; Wittmann, S. (Grunenthal GmbH); Siderophore antibiotic conjugates with tetra- or hexadentate iron chelators on the basis of amino acids or peptides, method for producing them and the use thereof. DE 10111163; WO 0270017 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (VII) | 58520 | benzyl (2S)-5-[(benzoyloxy)(methyl)amino]-2-[((2S)-2,6-bis{[2,3-bis(acetyloxy)benzoyl]amino}hexanoyl)amino]-5-oxopentanoate | C48H50N4O16 | 详情 | 详情 | |
| (VIII) | 58521 | (2S)-5-[(benzoyloxy)(methyl)amino]-2-[((2S)-2,6-bis{[2,3-bis(acetyloxy)benzoyl]amino}hexanoyl)amino]-5-oxopentanoic acid | C41H44N4O16 | 详情 | 详情 | |
| (IX) | 31107 | (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylethanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | 69-53-4 | C16H19N3O4S | 详情 | 详情 |
Extended Information